1-(1,3-benzodioxol-5-ylmethyl)-7-butyl-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-7-butyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-7-butyl-purine-2,6-dione CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-7-butyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-7-butylpurine-2,6-dione Traditional Name: 3-benzyl-7-butyl-1-piperonyl-xanthine Formula: C24H24N4O4 MolecularWeight: 432.47176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H24N4O4/c1-2-3-11-26-15-25-22-21(26)23(29)28(14-18-9-10-19-20(12-18)32-16-31-19)24(30)27(22)13-17-7-5-4-6-8-17/h4-10,12,15H,2-3,11,13-14,16H2,1H3